(1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol

C19H29NO2 — CID 91666313

IUPAC(1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol
SMILESCC1=C(COc2cccc([C@H](O)CCN)c2)C(C)(C)CCC1
InChIInChI=1S/C19H29NO2/c1-14-6-5-10-19(2,3)17(14)13-22-16-8-4-7-15(12-16)18(21)9-11-20/h4,7-8,12,18,21H,5-6,9-11,13,20H2,1-3H3/t18-/m1/s1
InChIKeyIMAIQFBFQHDLHJ-GOSISDBHSA-N
MW303.45 g/mol
LogP3.97
Rot. Bonds6

About (1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol

(1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol (PubChem CID 91666313) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol
PubChem CID91666313
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol
SMILESCC1=C(COc2cccc([C@H](O)CCN)c2)C(C)(C)CCC1
InChIInChI=1S/C19H29NO2/c1-14-6-5-10-19(2,3)17(14)13-22-16-8-4-7-15(12-16)18(21)9-11-20/h4,7-8,12,18,21H,5-6,9-11,13,20H2,1-3H3/t18-/m1/s1
InChIKeyIMAIQFBFQHDLHJ-GOSISDBHSA-N
XLogP3.97
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol (CID 91666313) is (1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol is CC1=C(COc2cccc([C@H](O)CCN)c2)C(C)(C)CCC1.
What is the InChIKey of (1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol?
The InChIKey is IMAIQFBFQHDLHJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14-6-5-10-19(2,3)17(14)13-22-16-8-4-7-15(12-16)18(21)9-11-20/h4,7-8,12,18,21H,5-6,9-11,13,20H2,1-3H3/t18-/m1/s1.
What are the key properties of (1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol?
(1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol has a molecular weight of 303.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-[3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 91666313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).